4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid

C11H16N2O3S — CID 79216909

IUPAC4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(NC(=O)N2CCSCC2)C1
InChIInChI=1S/C11H16N2O3S/c14-10(15)8-1-2-9(7-8)12-11(16)13-3-5-17-6-4-13/h1-2,8-9H,3-7H2,(H,12,16)(H,14,15)
InChIKeyHYRYVWJDBOHDAR-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.77
Rot. Bonds2

About 4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid

4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid (PubChem CID 79216909) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid.

Molecular Properties

Compound Name4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid
PubChem CID79216909
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid
SMILESO=C(O)C1C=CC(NC(=O)N2CCSCC2)C1
InChIInChI=1S/C11H16N2O3S/c14-10(15)8-1-2-9(7-8)12-11(16)13-3-5-17-6-4-13/h1-2,8-9H,3-7H2,(H,12,16)(H,14,15)
InChIKeyHYRYVWJDBOHDAR-UHFFFAOYSA-N
XLogP0.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[(4-carbamoylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79215858
4-[(4-methylazepane-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216790
4-[(3-hydroxy-4-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 102961866
4-[(3-ethylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 113418295
4-[(4-methyl-3-oxopiperazine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79211540
4-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 79216190
4-(piperidin-1-ylcarbamoylamino)cyclopent-2-ene-1-carboxylic acid
CID 83020303
4-[(2-methylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216891
4-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]amino]cyclopent-2-ene-1-carboxylic acid
CID 102727428
4-[(2-cyclopentylpyrrolidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79191673
4-[(2,3-dimethylpiperidine-1-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79215982
3-(thiomorpholine-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63041930

Frequently Asked Questions

What is the IUPAC name of 4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid?
The IUPAC name of 4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid (CID 79216909) is 4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid.
What is the SMILES notation for 4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid?
The canonical SMILES for 4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid is O=C(O)C1C=CC(NC(=O)N2CCSCC2)C1.
What is the InChIKey of 4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid?
The InChIKey is HYRYVWJDBOHDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c14-10(15)8-1-2-9(7-8)12-11(16)13-3-5-17-6-4-13/h1-2,8-9H,3-7H2,(H,12,16)(H,14,15).
What are the key properties of 4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid?
4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid has a molecular weight of 256.33 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(thiomorpholine-4-carbonylamino)cyclopent-2-ene-1-carboxylic acid is sourced from PubChem (CID 79216909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).